Compound Identification
SMILES
CC(=O)CC(C1=CC(Cl)=C(Cl)C=C1)C1=C(O)C2=C(OC1=O)C1=C(C=C2)C(=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=KEYBIPYEQQPVBP-UHFFFAOYSA-N
Formula
C33H22Cl2O4S
Mass
585.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans 1-benzothiophenes Dichlorobenzenes Pyranones and derivatives Aryl chlorides Vinylogous acids Thiophenes Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1-benzothiophene - Benzothiophene - 1,2-dichlorobenzene - Chlorobenzene - Pyranone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Thiophene - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available